2-prop-2-ynoxypropane (CED0192824)

Record Information
Version1.0
Creation Date2026-08-23 04:17:38 UTC
Update Date2026-08-23 04:17:38 UTC
Accession NumberCHEM226974
Identification
Common Name2-prop-2-ynoxypropane
ClassSmall Molecule
Description
2-prop-2-ynoxypropane belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. It has the formula C6H10O and an average molecular weight of 98.14 g/mol. It is classified within the superclass of organic oxygen compounds.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H10O
Average Molecular Mass98.140 g/mol
Monoisotopic Mass98.073 g/mol
CAS Registry Number53135-63-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H10O/c1-4-5-7-6(2)3/h1,6H,5H2,2-3H3
InChI KeyILSBQHAPINGYIJ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2473.0Log mg/kg[1400:4400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)2778.75
Click to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)2688.21
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)5998.75
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)5849.36
Click to view 3D structure4-hydroxy-3-methylbut-2-enyl diphosphate reductaseO67625Aquifex aeolicus (strain VF5)Predicted (SEA)4.20386
Click to view 3D structureOxygen-dependent coproporphyrinogen-III oxidase, chloroplasticQ42840Hordeum vulgarePredicted (SEA)79.0948
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7295.33
Click to view 3D structureButyrylcholinesteraseQ9N1N9Equus caballusPredicted (SEA)3514.11
Click to view 3D structureCytochrome P450 4A4P10611Oryctolagus cuniculusPredicted (SEA)35.8106
Click to view 3D structure3-ketoacyl-CoA synthase 20Q9FG87Arabidopsis thalianaPredicted (SEA)4.51525
Click to view 3D structureSigma intracellular receptor 2Q8VD00Mus musculusPredicted (SEA)341.057
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)7345.23
Click to view 3D structureProtein disulfide-isomeraseP05307Bos taurusPredicted (SEA)1108.81
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)7734.48
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)7701.0
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)7663.4
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)7458.27
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)7481.78
Click to view 3D structureLeucine aminopeptidaseQ29571Sus scrofaPredicted (SEA)17.2825
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)7734.87
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)7659.58
Click to view 3D structureAcetylcholinesteraseP21836Mus musculusPredicted (SEA)6934.26
Click to view 3D structure5-hydroxytryptamine receptor 2BP30994Rattus norvegicusPredicted (SEA)6395.39
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)7755.03
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)7737.28
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available